Summary

IMPPAT Phytochemical identifier: IMPHY005045

Phytochemical name: 1-(4-Hydroxy-3-methoxyphenyl)tetradecane-3,5-diol

Synonymous chemical names:
10-gingediol

External chemical identifiers:
CID:5317590

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Chemical structure information

SMILES:
CCCCCCCCCC(CC(CCc1ccc(c(c1)OC)O)O)O

InChI:
InChI=1S/C21H36O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18-19,22-24H,3-11,13,16H2,1-2H3

InChIKey:
LGSIUDXMEDKEPY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCcccccc6)OC)))O)))))))O)))O

Functional groups:
CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 1.104

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Chemical structure download